N,N-dimethyl-N'-(2-methylpropyl)-N'-[[3-(propylaminomethyl)-1,2-oxazol-5-yl]methyl]ethane-1,2-diamine

C16H32N4O — CID 62426996

IUPACN,N-dimethyl-N'-(2-methylpropyl)-N'-[[3-(propylaminomethyl)-1,2-oxazol-5-yl]methyl]ethane-1,2-diamine
SMILESCCCNCc1cc(CN(CCN(C)C)CC(C)C)on1
InChIInChI=1S/C16H32N4O/c1-6-7-17-11-15-10-16(21-18-15)13-20(12-14(2)3)9-8-19(4)5/h10,14,17H,6-9,11-13H2,1-5H3
InChIKeyIIOOTFVCOKDVAR-UHFFFAOYSA-N
MW296.46 g/mol
LogP2.19
Rot. Bonds11

About N,N-dimethyl-N'-(2-methylpropyl)-N'-[[3-(propylaminomethyl)-1,2-oxazol-5-yl]methyl]ethane-1,2-diamine

N,N-dimethyl-N'-(2-methylpropyl)-N'-[[3-(propylaminomethyl)-1,2-oxazol-5-yl]methyl]ethane-1,2-diamine (PubChem CID 62426996) has the molecular formula C16H32N4O and a molecular weight of 296.46 g/mol. Its IUPAC name is N,N-dimethyl-N'-(2-methylpropyl)-N'-[[3-(propylaminomethyl)-1,2-oxazol-5-yl]methyl]ethane-1,2-diamine.

Molecular Properties

Compound NameN,N-dimethyl-N'-(2-methylpropyl)-N'-[[3-(propylaminomethyl)-1,2-oxazol-5-yl]methyl]ethane-1,2-diamine
PubChem CID62426996
Molecular FormulaC16H32N4O
Molecular Weight296.46 g/mol
Exact Mass296.26
IUPAC NameN,N-dimethyl-N'-(2-methylpropyl)-N'-[[3-(propylaminomethyl)-1,2-oxazol-5-yl]methyl]ethane-1,2-diamine
SMILESCCCNCc1cc(CN(CCN(C)C)CC(C)C)on1
InChIInChI=1S/C16H32N4O/c1-6-7-17-11-15-10-16(21-18-15)13-20(12-14(2)3)9-8-19(4)5/h10,14,17H,6-9,11-13H2,1-5H3
InChIKeyIIOOTFVCOKDVAR-UHFFFAOYSA-N
XLogP2.19
TPSA44.54 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.46
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[[3-(ethylaminomethyl)-1,2-oxazol-5-yl]methyl]-2-methyl-N-(2-methylpropyl)propan-1-amine
CID 62427668
N-[[5-[[bis(2-methoxyethyl)amino]methyl]-1,2-oxazol-3-yl]methyl]propan-1-amine
CID 62462478
N-methyl-N-[[3-(propylaminomethyl)-1,2-oxazol-5-yl]methyl]pentan-3-amine
CID 62431740
N-[[5-[[ethyl(2,2,2-trifluoroethyl)amino]methyl]-1,2-oxazol-3-yl]methyl]propan-1-amine
CID 62426085
N-[[5-[(dimethylamino)methyl]-1,2-oxazol-3-yl]methyl]-2-methylpropan-1-amine
CID 62417450
N-[[5-[[ethyl(thiophen-2-ylmethyl)amino]methyl]-1,2-oxazol-3-yl]methyl]propan-1-amine
CID 62463826
N-[[5-[[2-methoxyethyl(2-methylpropyl)amino]methyl]-1,2-oxazol-3-yl]methyl]cyclopropanamine
CID 62429429
N-[[5-[[methyl(oxan-2-ylmethyl)amino]methyl]-1,2-oxazol-3-yl]methyl]propan-1-amine
CID 62430126
N,N,2-trimethyl-1-[[3-(propylaminomethyl)-1,2-oxazol-5-yl]methoxy]propan-2-amine
CID 79679045
N-[[3-(ethylaminomethyl)-1,2-oxazol-5-yl]methyl]-N,2-dimethylbutan-1-amine
CID 62422427
N,3-dimethyl-N-[[3-(propylaminomethyl)-1,2-oxazol-5-yl]methyl]cyclohexan-1-amine
CID 62429692
3-fluoro-N-methyl-N-[[3-(propylaminomethyl)-1,2-oxazol-5-yl]methyl]aniline
CID 62461087

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-N'-(2-methylpropyl)-N'-[[3-(propylaminomethyl)-1,2-oxazol-5-yl]methyl]ethane-1,2-diamine?
The IUPAC name of N,N-dimethyl-N'-(2-methylpropyl)-N'-[[3-(propylaminomethyl)-1,2-oxazol-5-yl]methyl]ethane-1,2-diamine (CID 62426996) is N,N-dimethyl-N'-(2-methylpropyl)-N'-[[3-(propylaminomethyl)-1,2-oxazol-5-yl]methyl]ethane-1,2-diamine.
What is the SMILES notation for N,N-dimethyl-N'-(2-methylpropyl)-N'-[[3-(propylaminomethyl)-1,2-oxazol-5-yl]methyl]ethane-1,2-diamine?
The canonical SMILES for N,N-dimethyl-N'-(2-methylpropyl)-N'-[[3-(propylaminomethyl)-1,2-oxazol-5-yl]methyl]ethane-1,2-diamine is CCCNCc1cc(CN(CCN(C)C)CC(C)C)on1.
What is the InChIKey of N,N-dimethyl-N'-(2-methylpropyl)-N'-[[3-(propylaminomethyl)-1,2-oxazol-5-yl]methyl]ethane-1,2-diamine?
The InChIKey is IIOOTFVCOKDVAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H32N4O/c1-6-7-17-11-15-10-16(21-18-15)13-20(12-14(2)3)9-8-19(4)5/h10,14,17H,6-9,11-13H2,1-5H3.
What are the key properties of N,N-dimethyl-N'-(2-methylpropyl)-N'-[[3-(propylaminomethyl)-1,2-oxazol-5-yl]methyl]ethane-1,2-diamine?
N,N-dimethyl-N'-(2-methylpropyl)-N'-[[3-(propylaminomethyl)-1,2-oxazol-5-yl]methyl]ethane-1,2-diamine has a molecular weight of 296.46 g/mol, XLogP of 2.19, 11 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-N'-(2-methylpropyl)-N'-[[3-(propylaminomethyl)-1,2-oxazol-5-yl]methyl]ethane-1,2-diamine is sourced from PubChem (CID 62426996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).